23
cp2zri2_C2.xyz
Zr       0.0000   0.0000   0.6626
I       -2.2325   0.0605   2.5098
I        2.2325  -0.0605   2.5098
C        0.5223  -1.5526  -1.2651
H        1.0109  -1.1635  -2.1515
C       -0.8828  -1.6305  -1.0516
H       -1.6552  -1.3175  -1.7465
C       -1.0979  -2.2679   0.1951
H       -2.0632  -2.4892   0.6357
C        1.1664  -2.1205  -0.1427
H        2.2372  -2.2115   0.0020
C        0.1640  -2.5509   0.7684
H        0.3378  -3.0084   1.7374
C       -1.1664   2.1205  -0.1427
H       -2.2372   2.2115   0.0020
C       -0.5223   1.5526  -1.2651
H       -1.0109   1.1635  -2.1515
C        0.8828   1.6305  -1.0516
H        1.6552   1.3175  -1.7465
C       -0.1640   2.5509   0.7684
H       -0.3378   3.0084   1.7374
C        1.0979   2.2679   0.1951
H        2.0632   2.4892   0.6357
